3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-oxidanyl-1H-quinolin-4-one

Systemtic Name: 3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-oxidanyl-1H-quinolin-4-one Openeye Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-hydroxy-1H-quinolin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-hydroxy-1H-quinolin-4-one IUPAC Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-hydroxy-1H-quinolin-4-one Traditional Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2-hydroxy-4-quinolone Formula: C27H29N3O2+2 MolecularWeight: 427.53806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=C(NC3=CC=CC=C3C2=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=C(NC3=CC=CC=C3C2=O)O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2/c31-26-22-13-7-8-14-24(22)28-27(32)23(26)19-29-15-17-30(18-16-29)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-19H2,(H2,28,31,32)/p+2